2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

C19H14BrN3OS — CID 90625768

IUPAC2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C19H14BrN3OS/c20-14-7-5-13(6-8-14)11-18(24)21-16-4-2-1-3-15(16)17-12-23-9-10-25-19(23)22-17/h1-10,12H,11H2,(H,21,24)
InChIKeyHZPOOLIDFQUBLI-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.01
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (PubChem CID 90625768) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
PubChem CID90625768
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC Name2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C19H14BrN3OS/c20-14-7-5-13(6-8-14)11-18(24)21-16-4-2-1-3-15(16)17-12-23-9-10-25-19(23)22-17/h1-10,12H,11H2,(H,21,24)
InChIKeyHZPOOLIDFQUBLI-UHFFFAOYSA-N
XLogP5.01
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (CID 90625768) is 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccccc1-c1cn2ccsc2n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The InChIKey is HZPOOLIDFQUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c20-14-7-5-13(6-8-14)11-18(24)21-16-4-2-1-3-15(16)17-12-23-9-10-25-19(23)22-17/h1-10,12H,11H2,(H,21,24).
What are the key properties of 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide has a molecular weight of 412.31 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is sourced from PubChem (CID 90625768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).